5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole

C13H12N2O2 — CID 13481635

IUPAC5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole
SMILESCOn1cc(-c2cnc(C)o2)c2ccccc21
InChIInChI=1S/C13H12N2O2/c1-9-14-7-13(17-9)11-8-15(16-2)12-6-4-3-5-10(11)12/h3-8H,1-2H3
InChIKeyISRWKMDBEPCQLN-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.66
Rot. Bonds2

About 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole

5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole (PubChem CID 13481635) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole
PubChem CID13481635
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole
SMILESCOn1cc(-c2cnc(C)o2)c2ccccc21
InChIInChI=1S/C13H12N2O2/c1-9-14-7-13(17-9)11-8-15(16-2)12-6-4-3-5-10(11)12/h3-8H,1-2H3
InChIKeyISRWKMDBEPCQLN-UHFFFAOYSA-N
XLogP2.66
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole (CID 13481635) is 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole is COn1cc(-c2cnc(C)o2)c2ccccc21.
What is the InChIKey of 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole?
The InChIKey is ISRWKMDBEPCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-14-7-13(17-9)11-8-15(16-2)12-6-4-3-5-10(11)12/h3-8H,1-2H3.
What are the key properties of 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole?
5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole has a molecular weight of 228.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyindol-3-yl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 13481635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).